Information card for entry 7234411

Structure parameters

• Formula: C32 H26 N4 O2 S4
• Calculated formula: C32 H26 N4 O2 S4
• SMILES: s1c(c(c(c1C)c1c2nsnc2c2nsnc2c1c1c(sc(c1C)c1ccc(OC)cc1)C)C)c1ccc(OC)cc1
• Title of publication: Sterically hindered diarylethenes with a benzobis(thiadiazole) bridge: photochemical and kinetic studies
• Authors of publication: Wenlong Li; Yunsong Cai; Xin Li; Hans Agren; He Tian; Wei-Hong Zhu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 8665 - 8674
• a: 9.77 ± 0.002 Å
• b: 16.009 ± 0.004 Å
• c: 18.723 ± 0.004 Å
• α: 90°
• β: 97.167 ± 0.004°
• γ: 90°
• Cell volume: 2905.5 ± 1.1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No